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Basic Chemistry

Molecular orbitals were one of the first molecular features that could be visualized with simple graphical hardware. The reason for this early representation is found in the complex theory of quantum chemistry. Basically, a structure is more attractive and easier to understand when orbitals are displayed, rather than numerical orbital coefficients. The molecular orbitals, calculated by semi-empirical or ab initio quantum mechanical methods, are represented by isosurfaces, corresponding to the electron density surfeces Figure 2-125a). [Pg.135]

G. Berthier, in Quantum Chemistry - Basic Aspects. Actual Trends. R. Carbo (Ed.), Elsevier, Amsterdam, 1989, pp. 91-102. [Pg.173]

R.Carbo and B.Calabuig, "A project for the development of a computational system, based on PC-compatible computers to be used in Quantum Chemistry teaching and research", pp. 73-90 in R.Carbo (Editor), Quantum Chemistry, Basic Aspects. Actual Trends. Studies in Physical and Theoretical Chemistry. Vol. 62, Elsevier, Amsterdam, 1989. [Pg.247]

Very few chemistry faculty (perhaps 2—5%) are interested in, and even fewer are appropriately trained in, the chemistry basic to materials research (discussed later). [Pg.57]

The present review covers progress in medical chemistry, basic mechanisms of emesis, role of serotonergic mechanism, and treatment of cancer-chemotherapy-induced emesis. [Pg.298]


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See also in sourсe #XX -- [ Pg.5 , Pg.6 , Pg.7 , Pg.8 , Pg.9 , Pg.10 , Pg.11 , Pg.12 , Pg.13 ]




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